N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide

C14H19Cl2NO2 — CID 111912027

IUPACN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-3-9(4-2)14(19)17-8-12(18)13-10(15)6-5-7-11(13)16/h5-7,9,12,18H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyCJPMMHHUNWKRKV-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide (PubChem CID 111912027) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
PubChem CID111912027
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-3-9(4-2)14(19)17-8-12(18)13-10(15)6-5-7-11(13)16/h5-7,9,12,18H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyCJPMMHHUNWKRKV-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
CID 71874340
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 111452382
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 111452346
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111452353
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 97069382
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97222976
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 99787158
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750736
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide
CID 100716096
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111452358

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide (CID 111912027) is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC(O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide?
The InChIKey is CJPMMHHUNWKRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-3-9(4-2)14(19)17-8-12(18)13-10(15)6-5-7-11(13)16/h5-7,9,12,18H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide?
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide has a molecular weight of 304.22 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide is sourced from PubChem (CID 111912027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).